N-[(4-fluorophenyl)methyl]-2-[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide

C25H26F2N4O — CID 92639751

IUPACN-[(4-fluorophenyl)methyl]-2-[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
SMILESCc1nc([C@@H]2CCCCN2Cc2ccc(F)cc2)ncc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C25H26F2N4O/c1-17-22(25(32)29-14-18-5-9-20(26)10-6-18)15-28-24(30-17)23-4-2-3-13-31(23)16-19-7-11-21(27)12-8-19/h5-12,15,23H,2-4,13-14,16H2,1H3,(H,29,32)/t23-/m0/s1
InChIKeyUXTRYPVQZZCGTF-QHCPKHFHSA-N
MW436.51 g/mol
LogP4.72
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide

N-[(4-fluorophenyl)methyl]-2-[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide (PubChem CID 92639751) has the molecular formula C25H26F2N4O and a molecular weight of 436.51 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
PubChem CID92639751
Molecular FormulaC25H26F2N4O
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
SMILESCc1nc([C@@H]2CCCCN2Cc2ccc(F)cc2)ncc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C25H26F2N4O/c1-17-22(25(32)29-14-18-5-9-20(26)10-6-18)15-28-24(30-17)23-4-2-3-13-31(23)16-19-7-11-21(27)12-8-19/h5-12,15,23H,2-4,13-14,16H2,1H3,(H,29,32)/t23-/m0/s1
InChIKeyUXTRYPVQZZCGTF-QHCPKHFHSA-N
XLogP4.72
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247725
N-[(4-fluorophenyl)methyl]-4-methyl-2-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidine-5-carboxamide
CID 92639611
2-[1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 110247487
N-[(4-fluorophenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247738
2-[(2R)-1-cyclopentylpiperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92639674
N-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247458
2-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 110247512
N-benzyl-2-[1-[(4-ethoxyphenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 175660224
2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92639602
2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 110247632
N-[(4-fluorophenyl)methyl]-4-methyl-2-[(2R)-1-(1-methylpyrazole-4-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92639724
N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-methylpyrazole-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110247737

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide (CID 92639751) is N-[(4-fluorophenyl)methyl]-2-[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide is Cc1nc([C@@H]2CCCCN2Cc2ccc(F)cc2)ncc1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is UXTRYPVQZZCGTF-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H26F2N4O/c1-17-22(25(32)29-14-18-5-9-20(26)10-6-18)15-28-24(30-17)23-4-2-3-13-31(23)16-19-7-11-21(27)12-8-19/h5-12,15,23H,2-4,13-14,16H2,1H3,(H,29,32)/t23-/m0/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide?
N-[(4-fluorophenyl)methyl]-2-[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 92639751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).